Oxazole, trimethyl-
- Formula: C6H9NO
- Molecular weight: 111.1418
- IUPAC Standard InChI: InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
- IUPAC Standard InChIKey: ZRLDBDZSLLGDOX-UHFFFAOYSA-N
- CAS Registry Number: 20662-84-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Trimethyloxazole; 2,4,5-Trimethyloxazole; Oxazole, 2,4,5-trimethyl
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- Other data available:
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Normal alkane RI, polar column, temperature ramp
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | FFAP | FFAP | DB-Wax | DB-Wax | HP-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | Nitrogen | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.50 | 0.5 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 35. | 35. | 30. | 30. | 40. |
| Tend (C) | 250. | 320. | 250. | 250. | 190. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 3. |
| Initial hold (min) | 5. | 5. | 1. | 1. | 6. |
| Final hold (min) | 45. | 45. | |||
| I | 1209. | 1209. | 1200. | 1204. | 1214. |
| Reference | Budryn, Nebesny, et al., 2011 | Nebesny, Budryn, et al., 2007 | Tanaka, Yamauchi, et al., 2003 | Tanaka, Yamauchi, et al., 2003 | Sanz, Maeztu, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-Wax | DB-Wax | DB-Wax | Carbowax 20M |
| Column length (m) | 60. | 60. | 60. | 39. |
| Carrier gas | He | He | He | H2 |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.30 |
| Phase thickness (μm) | 0.5 | |||
| Tstart (C) | 40. | 40. | 60. | 60. |
| Tend (C) | 190. | 200. | 180. | 220. |
| Heat rate (K/min) | 3. | 2. | 4. | 2. |
| Initial hold (min) | 6. | 2. | 4. | |
| Final hold (min) | 30. | |||
| I | 1214. | 1197. | 1211. | 1190. |
| Reference | Sanz, Ansorena, et al., 2001 | Umano, Hagi, et al., 1995 | Eiserich, Macku, et al., 1992 | Liardon and Ledermann, 1980 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W.,
HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews,
Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]
Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T.,
The effect of roasting method on headspace composition of robusta coffee bean aroma,
Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0
. [all data]
Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K.,
Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography,
Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278
. [all data]
Sanz, Maeztu, et al., 2002
Sanz, C.; Maeztu, L.; Zapelena, M.J.; Bello, J.; Cid, C.,
Profiles of volatile compounds and sensory analysis of three blends of coffee: influence of different proportions of Arabica and Robusta and influence of roasting coffee with sugar,
J. Sci. Food Agric., 2002, 82, 8, 840-847, https://doi.org/10.1002/jsfa.1110
. [all data]
Sanz, Ansorena, et al., 2001
Sanz, C.; Ansorena, D.; Bello, J.; Cid, C.,
Optimizing headspace temperature and time sampling for identification of volatile compounds in ground roasted Arabica coffee,
J. Agric. Food Chem., 2001, 49, 3, 1364-1369, https://doi.org/10.1021/jf001100r
. [all data]
Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046
. [all data]
Eiserich, Macku, et al., 1992
Eiserich, J.P.; Macku, C.; Shibamoto, T.,
Volatile antioxidants formed from an L-cysteine/D-glucose Maillard model system,
J. Agric. Food Chem., 1992, 40, 10, 1982-1988, https://doi.org/10.1021/jf00022a050
. [all data]
Liardon and Ledermann, 1980
Liardon, R.; Ledermann, S.,
volatile components of fermented soya hydrolysate. II. Composition of basic fraction,
Z. Lebensm. Unters. Forsch., 1980, 170, 3, 208-213, https://doi.org/10.1007/BF01042542
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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